N-(cyclopropanecarbonyl)-4-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4R)-2-(difluoromethylsulfonyl)-1,2-oxazolidin-4-yl]-2-methylbenzamide

C26H21Cl2F6N3O6S — CID 162710845

About N-(cyclopropanecarbonyl)-4-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4R)-2-(difluoromethylsulfonyl)-1,2-oxazolidin-4-yl]-2-methylbenzamide

N-(cyclopropanecarbonyl)-4-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4R)-2-(difluoromethylsulfonyl)-1,2-oxazolidin-4-yl]-2-methylbenzamide (PubChem CID 162710845) has the molecular formula C26H21Cl2F6N3O6S and a molecular weight of 688.43 g/mol. Its IUPAC name is N-(cyclopropanecarbonyl)-4-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4R)-2-(difluoromethylsulfonyl)-1,2-oxazolidin-4-yl]-2-methylbenzamide.

Molecular Properties

• Compound Name: N-(cyclopropanecarbonyl)-4-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4R)-2-(difluoromethylsulfonyl)-1,2-oxazolidin-4-yl]-2-methylbenzamide
• PubChem CID: 162710845
• Molecular Formula: C26H21Cl2F6N3O6S
• Molecular Weight: 688.43 g/mol
• Exact Mass: 687.04
• IUPAC Name: N-(cyclopropanecarbonyl)-4-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4R)-2-(difluoromethylsulfonyl)-1,2-oxazolidin-4-yl]-2-methylbenzamide
• SMILES: Cc1cc(C2=NO[C@@](c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)N(C(=O)C1CC1)[C@H]1CON(S(=O)(=O)C(F)F)C1
• InChI: InChI=1S/C26H21Cl2F6N3O6S/c1-12-6-14(20-9-25(43-35-20,26(32,33)34)15-7-18(27)21(29)19(28)8-15)4-5-17(12)23(39)37(22(38)13-2-3-13)16-10-36(42-11-16)44(40,41)24(30)31/h4-8,13,16,24H,2-3,9-11H2,1H3/t16-,25+/m1/s1
• InChIKey: LGPYUHIXGNMNTA-CPJLOUKISA-N
• XLogP: 5.57
• TPSA: 105.58 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.43
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropanecarbonyl)-4-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4R)-2-(difluoromethylsulfonyl)-1,2-oxazolidin-4-yl]-2-methylbenzamide?

The IUPAC name of N-(cyclopropanecarbonyl)-4-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4R)-2-(difluoromethylsulfonyl)-1,2-oxazolidin-4-yl]-2-methylbenzamide (CID 162710845) is N-(cyclopropanecarbonyl)-4-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4R)-2-(difluoromethylsulfonyl)-1,2-oxazolidin-4-yl]-2-methylbenzamide.

What is the SMILES notation for N-(cyclopropanecarbonyl)-4-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4R)-2-(difluoromethylsulfonyl)-1,2-oxazolidin-4-yl]-2-methylbenzamide?

The canonical SMILES for N-(cyclopropanecarbonyl)-4-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4R)-2-(difluoromethylsulfonyl)-1,2-oxazolidin-4-yl]-2-methylbenzamide is Cc1cc(C2=NO[C@@](c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)N(C(=O)C1CC1)[C@H]1CON(S(=O)(=O)C(F)F)C1.

What is the InChIKey of N-(cyclopropanecarbonyl)-4-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4R)-2-(difluoromethylsulfonyl)-1,2-oxazolidin-4-yl]-2-methylbenzamide?

The InChIKey is LGPYUHIXGNMNTA-CPJLOUKISA-N. The full InChI is InChI=1S/C26H21Cl2F6N3O6S/c1-12-6-14(20-9-25(43-35-20,26(32,33)34)15-7-18(27)21(29)19(28)8-15)4-5-17(12)23(39)37(22(38)13-2-3-13)16-10-36(42-11-16)44(40,41)24(30)31/h4-8,13,16,24H,2-3,9-11H2,1H3/t16-,25+/m1/s1.

What are the key properties of N-(cyclopropanecarbonyl)-4-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4R)-2-(difluoromethylsulfonyl)-1,2-oxazolidin-4-yl]-2-methylbenzamide?

N-(cyclopropanecarbonyl)-4-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4R)-2-(difluoromethylsulfonyl)-1,2-oxazolidin-4-yl]-2-methylbenzamide has a molecular weight of 688.43 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropanecarbonyl)-4-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(4R)-2-(difluoromethylsulfonyl)-1,2-oxazolidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 162710845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).